SCHEMBL16775980

SCHEMBL16775980

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.39
▸ AR P10275 1/20 0.38
▸ LRRK2 Q5S007 5/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MLNR O43193 2/20 0.36
▸ MTOR P42345 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16775933 0.90 USP30 (0.39) GRM5ARLRRK2ADORA2AUSP30
SCHEMBL16775991 0.89 THRB (0.39) GRM5LRRK2ADORA2AUSP30MLNR
SCHEMBL16775985 0.87 GRM5 (0.38) GRM5LRRK2ADORA2AUSP30GSK3B
SCHEMBL16776279 0.86 GSK3B (0.38) ARLRRK2CPT1AGSK3B
SCHEMBL16775990 0.85 ADORA2A (0.39) GRM5LRRK2ADORA2AUSP30MLNR
SCHEMBL16775934 0.85 USP30 (0.40) GRM5LRRK2ADORA2AUSP30GSK3B
SCHEMBL16776203 0.85 ABL1 (0.36) GRM5ARMTOR
SCHEMBL16775982 0.85 CACNA1G (0.43) GRM5AR
SCHEMBL16775992 0.84 GRM5 (0.40) GRM5LRRK2ADORA2AUSP30GSK3B
SCHEMBL16775942 0.84 HDAC2 (0.37) ADORA2AGSK3BMLNRMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885AR 3677/4885LRRK2 533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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